Geometry & MOs

Info

ID:	152555
PubChem CID:	56311511
Reduced:	SO4N5C23H31 (1)
Stoich.:	AB4C5D23E31 (1)
Weight, g/mol:	449.192626
ΔH_f, kcal/mol:	-128.28
Dipole, Da:	2.68
IP(EA), eV:	-9.11(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC(=NN3C4CCS(=O)(=O)C4)C

DOS

IR

Vibrations